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123794-07-0 | 2-Pyrrolidinone, 1-[3-(dimethylamino)propyl]-3-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylene]-
CAS No: 123794-07-0 Catalog No: AG000L2T MDL No:
Product Description
Catalog Number:
AG000L2T
Chemical Name:
2-Pyrrolidinone, 1-[3-(dimethylamino)propyl]-3-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylene]-
CAS Number:
123794-07-0
Molecular Formula:
C14H21N5O3
Molecular Weight:
307.3482
IUPAC Name:
1-[3-(dimethylamino)propyl]-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]pyrrolidin-2-one
InChI:
InChI=1S/C14H21N5O3/c1-16(2)6-4-7-18-8-5-11(14(18)20)9-12-15-10-13(17(12)3)19(21)22/h9-10H,4-8H2,1-3H3
InChI Key:
CCANHJHZUYCECO-UHFFFAOYSA-N
SMILES:
CN(CCCN1CCC(=Cc2ncc(n2C)[N+](=O)[O-])C1=O)C
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.164g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.354g/mol
Monoisotopic Mass:
307.164g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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